bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid

C2HF3O4Ti — CID 157338255

IUPACbis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[O-2].[O-2].[Ti+4]
InChIInChI=1S/C2HF3O2.2O.Ti/c3-2(4,5)1(6)7;;;/h(H,6,7);;;/q;2*-2;+4
InChIKeyBGCBQFXJYRLNOE-UHFFFAOYSA-N
MW193.89 g/mol
LogP0.39
Rot. Bonds

About bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid

bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid (PubChem CID 157338255) has the molecular formula C2HF3O4Ti and a molecular weight of 193.89 g/mol. Its IUPAC name is bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namebis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
PubChem CID157338255
Molecular FormulaC2HF3O4Ti
Molecular Weight193.89 g/mol
Exact Mass193.93
IUPAC Namebis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[O-2].[O-2].[Ti+4]
InChIInChI=1S/C2HF3O2.2O.Ti/c3-2(4,5)1(6)7;;;/h(H,6,7);;;/q;2*-2;+4
InChIKeyBGCBQFXJYRLNOE-UHFFFAOYSA-N
XLogP0.39
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.89
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid?
The IUPAC name of bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid (CID 157338255) is bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid.
What is the SMILES notation for bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid?
The canonical SMILES for bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[O-2].[O-2].[Ti+4].
What is the InChIKey of bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid?
The InChIKey is BGCBQFXJYRLNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.2O.Ti/c3-2(4,5)1(6)7;;;/h(H,6,7);;;/q;2*-2;+4.
What are the key properties of bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid?
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid has a molecular weight of 193.89 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157338255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).